2-(1-adamantylamino)-N-(2,6-dichlorophenyl)acetamide

C18H22Cl2N2O — CID 7536783

IUPAC2-(1-adamantylamino)-N-(2,6-dichlorophenyl)acetamide
SMILESO=C(CNC12CC3CC(CC(C3)C1)C2)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C18H22Cl2N2O/c19-14-2-1-3-15(20)17(14)22-16(23)10-21-18-7-11-4-12(8-18)6-13(5-11)9-18/h1-3,11-13,21H,4-10H2,(H,22,23)
InChIKeyMBSWNGXLLVOWJS-UHFFFAOYSA-N
MW353.29 g/mol
LogP4.49
Rot. Bonds4

About 2-(1-adamantylamino)-N-(2,6-dichlorophenyl)acetamide

2-(1-adamantylamino)-N-(2,6-dichlorophenyl)acetamide (PubChem CID 7536783) has the molecular formula C18H22Cl2N2O and a molecular weight of 353.29 g/mol. Its IUPAC name is 2-(1-adamantylamino)-N-(2,6-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-(1-adamantylamino)-N-(2,6-dichlorophenyl)acetamide
PubChem CID7536783
Molecular FormulaC18H22Cl2N2O
Molecular Weight353.29 g/mol
Exact Mass352.11
IUPAC Name2-(1-adamantylamino)-N-(2,6-dichlorophenyl)acetamide
SMILESO=C(CNC12CC3CC(CC(C3)C1)C2)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C18H22Cl2N2O/c19-14-2-1-3-15(20)17(14)22-16(23)10-21-18-7-11-4-12(8-18)6-13(5-11)9-18/h1-3,11-13,21H,4-10H2,(H,22,23)
InChIKeyMBSWNGXLLVOWJS-UHFFFAOYSA-N
XLogP4.49
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.29
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-adamantylamino)-N-(3-chlorophenyl)acetamide
CID 9032168
2-(1-adamantylamino)-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 7666468
2-(1-adamantylamino)-N-(4-chlorophenyl)acetamide
CID 9032255
2-(1-adamantylamino)-N-(2,3-dimethylphenyl)acetamide
CID 7536722
N-(2,6-dichlorophenyl)-2-[[1-(trifluoromethyl)cyclopropyl]amino]acetamide
CID 106212241
N-[(2,6-dichlorophenyl)methyl]adamantan-1-amine
CID 4721689
2-(1-adamantylamino)-N-(3-methoxyphenyl)acetamide
CID 7536728
2-(1-adamantylamino)-N-(4-tert-butylphenyl)acetamide
CID 7666269
2-(1-adamantylamino)-N-(9,10-dioxoanthracen-1-yl)acetamide
CID 9032292
N,N'-bis(2,6-dichlorophenyl)butanediamide
CID 1010966
2-(1-adamantylamino)-1-phenylethanone
CID 14291475
2-(1-adamantylamino)-N-[4-[(2S)-butan-2-yl]phenyl]acetamide
CID 7666250

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantylamino)-N-(2,6-dichlorophenyl)acetamide?
The IUPAC name of 2-(1-adamantylamino)-N-(2,6-dichlorophenyl)acetamide (CID 7536783) is 2-(1-adamantylamino)-N-(2,6-dichlorophenyl)acetamide.
What is the SMILES notation for 2-(1-adamantylamino)-N-(2,6-dichlorophenyl)acetamide?
The canonical SMILES for 2-(1-adamantylamino)-N-(2,6-dichlorophenyl)acetamide is O=C(CNC12CC3CC(CC(C3)C1)C2)Nc1c(Cl)cccc1Cl.
What is the InChIKey of 2-(1-adamantylamino)-N-(2,6-dichlorophenyl)acetamide?
The InChIKey is MBSWNGXLLVOWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22Cl2N2O/c19-14-2-1-3-15(20)17(14)22-16(23)10-21-18-7-11-4-12(8-18)6-13(5-11)9-18/h1-3,11-13,21H,4-10H2,(H,22,23).
What are the key properties of 2-(1-adamantylamino)-N-(2,6-dichlorophenyl)acetamide?
2-(1-adamantylamino)-N-(2,6-dichlorophenyl)acetamide has a molecular weight of 353.29 g/mol, XLogP of 4.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantylamino)-N-(2,6-dichlorophenyl)acetamide is sourced from PubChem (CID 7536783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).